Molecule

ID:26710

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂OS
Molecular Mass
266.40228
Exact Mass
266.14528433
Charge
0
InChI
InChI=1S/C14H22N2OS/c1-3-11-9(2)18-13(15)12(11)14(17)16-10-7-5-4-6-8-10/h10H,3-8,15H2,1-2H3,(H,16,17)
InChIKey
SPXMOCIDRHSDIB-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)sc(c1C(=O)NC1CCCCC1)N
Isomeric Smiles
c1(c(sc(c1CC)C)N)C(=O)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
15.99326
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.2181935
LogD (pH = 7.4)
4.2181954
Log P
4.2181954
Molar Refractivity
76.7119
Polarizability
28.644638
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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